1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine

C12H16BrN3S — CID 107167550

IUPAC1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCc1cnn(CCNC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C12H16BrN3S/c1-9-6-15-16(7-9)4-3-14-10(2)12-5-11(13)8-17-12/h5-8,10,14H,3-4H2,1-2H3
InChIKeyFDWMLNVHWQQBEW-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (PubChem CID 107167550) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
PubChem CID107167550
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC Name1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCc1cnn(CCNC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C12H16BrN3S/c1-9-6-15-16(7-9)4-3-14-10(2)12-5-11(13)8-17-12/h5-8,10,14H,3-4H2,1-2H3
InChIKeyFDWMLNVHWQQBEW-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564
N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879479
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107167308
1-(2,5-dimethylfuran-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 113429021
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 115867879
N-[1-(4-bromothiophen-2-yl)ethyl]-4-imidazol-1-ylbutan-1-amine
CID 107167300
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
CID 62442905
1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 103871912

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (CID 107167550) is 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine is Cc1cnn(CCNC(C)c2cc(Br)cs2)c1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The InChIKey is FDWMLNVHWQQBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-9-6-15-16(7-9)4-3-14-10(2)12-5-11(13)8-17-12/h5-8,10,14H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine has a molecular weight of 314.25 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 107167550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).